CD Skripsi
Karakterisasi Senyawa Potensial Sebagai Antikanker Dari Daun Mangifera Sumbawaensis Berdasarkan Lc-Ms/Ms Dan Pendekatan In Silico
Mangifera sumbawaensis is an endemic wild mango from Sumbawa island. Wild mangoes have many biological activities including anticancer agents. In silico can be used to reveal the potency of wild mangoes as anticancer agent. The aim of this study are to (1) identify secondary metabolites from M. sumbawaensis leaves extract based on LC-MS/MS, (2) investigate anticancer activity of M. sumbawaensis leaves based on protein-compound interaction with in silico approach. Leaves of M. sumbawaensis are macerated with etanol 70% (1:10) for 72 hours. Compounds of M. sumbawaensis leaves extract are annotated with LC-MS/MS. Annotated compounds are analyzed for revealing anticancer activity using PASS and molecular docking to Bcl-2, Bcl-xL, and Mcl-1 and drug-likeness activity using SwissADME. This study shows 15 compounds are annotated from M. sumbawaensis leaves extract. Eight compounds correlated with anticancer activity based on PASS analysis. Echinenone, mangiferin and quercetin have the highest binding affinity to protein targets. Eight compounds interact with at least one amino acid target on protein targets. Drug-likeness analysis shows mangiferin and echinenone did not meet the optimal criteria of Lipinski’s rule of five. This research suggests that the ethanol leaves extract of M. sumbawaensis have potency as an anticancer agent through the inihibition of anti-apoptotic protein.
Key findings: Drug-likeness, metabolomics, molecular docking, wild mango
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